N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C23H18FN3O4S — CID 55800871

IUPACN-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C23H18FN3O4S/c1-14-11-20(27-22(28)18-3-2-10-30-18)32-21(14)23(29)26-13-15-4-9-19(25-12-15)31-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyFCVVLEZIIUXPEC-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.16
Rot. Bonds7

About N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 55800871) has the molecular formula C23H18FN3O4S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID55800871
Molecular FormulaC23H18FN3O4S
Molecular Weight451.48 g/mol
Exact Mass451.10
IUPAC NameN-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C23H18FN3O4S/c1-14-11-20(27-22(28)18-3-2-10-30-18)32-21(14)23(29)26-13-15-4-9-19(25-12-15)31-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyFCVVLEZIIUXPEC-UHFFFAOYSA-N
XLogP5.16
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 55800871) is N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is FCVVLEZIIUXPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S/c1-14-11-20(27-22(28)18-3-2-10-30-18)32-21(14)23(29)26-13-15-4-9-19(25-12-15)31-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55800871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).